General Information of the Compound
| Compound ID |
CP0504742
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| Compound Name |
(2-chloro-4-nitrophenyl) 4-(diaminomethylideneamino)benzoate
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| Structure |
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| Formula |
C14H11ClN4O4
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| Molecular Weight |
334.719
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| Canonical SMILES |
NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc(cc1Cl)[N+]([O-])=O
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| InChI |
InChI=1S/C14H11ClN4O4/c15-11-7-10(19(21)22)5-6-12(11)23-13(20)8-1-3-9(4-2-8)18-14(16)17/h1-7H,(H4,16,17,18)
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| InChIKey |
ICWKFRVMKDUCSO-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound